SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CNC(=O)[C@]1(C)CCN1C(=O)[C@H]1CCc2ccccc2[C@@H]1O
|
CNC=O)[C@]C)CCN4C=O)[C@H]CCcccccc6[C@@H]%10O
|
[C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#Branch2][O]
|
[C@H]16CCc2ccccc2[C@@H]1O.[C@@]15(C)CCN14.C35=O.C46=O.CN3
|
CCCCCN(C)CCC(=O)N[C@H](CNC(=O)C1(C2CC2)CCC1)[C@@H](C)C(C)C
|
CCCCCNC)CCC=O)N[C@H]CNC=O)CCCC3)))CCC4)))))))[C@@H]C)CC)C
|
[C][C][C][C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][#Branch1][C@@H1][Branch1][C][C][C][Branch1][C][C][C]
|
[C@@H]7(C8)[C@@H](C)C(C)C.C19(C2CC2)CCC1.CCCCC5.C6CC3=O.N56C.C49=O.N37.N48
|
O=C(CNC(=O)NC1CC1)NC[C@H]1CCC[C@@H](NC(=O)CCN2CC[C@@H](F)C2)C1
|
O=CCNC=O)NCCC3)))))))NC[C@H]CCC[C@@H]NC=O)CCNCC[C@@H]F)C5)))))))))C6
|
[O][=C][Branch1][=N][C][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][C][C@H1][C][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][N][C][C][C@@H1][Branch1][C][F][C][Ring1][=Branch1][C][Ring1][P]
|
[C@H]14CCC[C@@H]%12C1.N1%10CC[C@@H](F)C1.C7(=O)CC%10.O=C3C8.C56=O.C1%11CC1.N58.N6%11.N39.C94.N7%12
|
CN(C)[C@H]1CC[C@@H](NC(=O)CCCn2cc(C(C)(C)C(=O)O)nn2)CC1
|
CNC)[C@H]CC[C@@H]NC=O)CCCnccCC)C)C=O)O)))nn5))))))))))CC6
|
[C][N][Branch1][C][C][C@H1][C][C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][N][C][=C][Branch1][=N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][N][=N][Ring1][O][C][C][Ring2][Ring1][#Branch1]
|
[C@H]14CC[C@@H]5CC1.C3(=O)CCC6.n16cc7nn1.C7(C)(C)C(=O)O.CN4C.N35
|
C#CC(C)(C)C(=O)N[C@H](CNC(=O)CSCC(F)(F)F)[C@H]1CCOC1
|
C#CCC)C)C=O)N[C@H]CNC=O)CSCCF)F)F))))))))[C@H]CCOC5
|
[C][#C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][F][Branch1][C][F][F][C@H1][C][C][O][C][Ring1][Branch1]
|
C#CC(C)(C)C2=O.C7C(F)(F)F.[C@H]18CCOC1.[C@H]48C5.C3(=O)C6.N24.N35.S67
|
CC(=CC(=O)NCc1csc(C(=O)NC[C@H](O)CNC(N)=O)c1)C1CC1
|
CC=CC=O)NCccscC=O)NC[C@H]O)CNCN)=O))))))))c5)))))))))CCC3
|
[C][C][=Branch2][Ring2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][C][Branch1][C][N][=O][=C][Ring1][S][C][C][C][Ring1][Ring1]
|
c1%10csc8c1.CC=9C1CC1.C6[C@H](O)C7.C=9C2=O.C38=O.C4(N)=O.N25.C5%10.N36.N47
|
CCN(CCNC(=O)C1CCC(F)CC1)C(=O)c1cc(C)c(C#N)c(C)c1
|
CCNCCNC=O)CCCCF)CC6))))))))))C=O)cccC)cC#N))cC)c6
|
[C][C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring1][#Branch2]
|
c18cc(C)c(C#N)c(C)c1.C17CCC(F)CC1.N345.C5C6.C27=O.C38=O.CC4.N26
|
C=C[C@@H](C)CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)n(C)n2)C1
|
C=C[C@@H]C)CC=O)N[C@H]C[C@H]NC=O)cccCN)=O))nC)n5)))))))C4
|
[C][=C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][C][C][N][=Ring1][=Branch2][C][Ring1][S]
|
C=C[C@@H](C)CC3=O.c17cc8n(C)n1.[C@H]15C[C@H]6C1.C47=O.C8(N)=O.N35.N46
|
C=C1CC(C)(C(=O)N(C)C/C=C/C(=O)N2CC[C@@]3(COC(=O)N3)C2)C1
|
C=CCCC)C=O)NC)C/C=C/C=O)NCC[C@@]COC=O)N5))))C5)))))))))))C4
|
[C][=C][C][C][Branch1][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C][C@@][Branch1][#Branch2][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][Branch2]
|
N15CC[C@@]2(COC(=O)N2)C1.C=C1CC7(C)C1.C=8C5=O.C47=O.N46C.C6C=8
|
CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)C(=O)N[C@]12CCC[C@H]1C2
|
CC=O)NCCC)C)C=O)NC[C@@H]C)C=O)N[C@]CCC[C@H]5C6
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1]
|
C6C(C)(C)C4=O.C7[C@@H](C)C5=O.[C@]128CCC[C@H]1C2.CC3=O.N36.N47.N58
|
CC(=O)N1CC(CC(=O)NC[C@H]2CC[C@H](C(=O)NCCO[C@@H]3CCOC3)CC2)C1
|
CC=O)NCCCC=O)NC[C@H]CC[C@H]C=O)NCCO[C@@H]CCOC5))))))))))CC6))))))))))C4
|
[C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][O][C@@H1][C][C][O][C][Ring1][Branch1][C][C][Ring1][P][C][Ring2][Ring1][#Branch2]
|
[C@H]15CC[C@H]%12CC1.N14CC%13C1.[C@@H]19CCOC1.C%13C6=O.CC4=O.C7%12=O.C%11C8.N6%10.C%105.N7%11.O89
|
Cc1cncc(/C=C/C(=O)N2C[C@H](NC(=O)c3occ(C)c3C)CC2(C)C)c1
|
Cccncc/C=C/C=O)NC[C@H]NC=O)coccC)c5C))))))))CC5C)C)))))))))c6
|
[C][C][=C][N][=C][C][Branch2][Ring2][Ring2][/C][=C][/C][=Branch1][C][=O][N][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][Ring1][#C][Branch1][C][C][C][=C][Ring2][Ring1][O]
|
Cc1cncc(C=8)c1.N14C[C@H]6CC1(C)C.c17occ(C)c1C.C=8C4=O.C57=O.N56
|
C=C=CCCC(=O)N1C[C@H](F)[C@H](NC(=O)c2cc3c(OCC=C)cccc3[nH]2)C1
|
C=C=CCCC=O)NC[C@H]F)[C@H]NC=O)ccccOCC=C))))cccc6[nH]9)))))))))))C5
|
[C][=C][=C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C][Ring2][Ring1][=Branch1]
|
c19cc2c7cccc2[nH]1.C=C=CCCC4=O.N14C[C@@H]8[C@@H](F)C1.C59=O.C6C=C.N58.O67
|
COCCCC(=O)N1CCC[C@@H]1CNC(=O)CCn1c(C)csc1=O
|
COCCCC=O)NCCC[C@@H]5CNC=O)CCncC)csc5=O
|
[C][O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O]
|
n16c(C)csc1=O.C4CCC2=O.N12CCC[C@@H]17.C3(=O)CC6.CO4.C57.N35
|
O=C(NC[C@@H]1C[C@@H](O)CN1C(=O)c1cncnc1)[C@@H](F)C1CCCCC1
|
O=CNC[C@@H]C[C@@H]O)CN5C=O)ccncnc6))))))))))))))[C@@H]F)CCCCCC6
|
[O][=C][Branch2][Ring1][=Branch2][N][C][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C@@H1][Branch1][C][F][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@@H]16C[C@@H](O)CN13.c15cncnc1.C17CCCCC1.O=C2[C@H]7F.C35=O.N24.C46
|
COCCN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)c1cnc(C(F)(F)F)s1
|
COCCNCCNC=O)C[C@@H]NC=O)NC5=O)))))))))))C=O)ccncCF)F)F))s5
|
[C][O][C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][C@@H1][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2]
|
[C@@H]19NC(=O)NC1=O.c18cnc%10s1.C2(=O)C9.C%10(F)(F)F.C4C5.N356.C6C7.C38=O.CO4.N27
|
CCc1noc(C)c1C(=O)N[C@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H]1C1CC1
|
CCcnocC)c5C=O)N[C@H]CNC=O)cccCl)cn5C)))))))C[C@@H]5CCC3
|
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][Ring1][=Branch1][C][C][C@@H1][Ring1][=C][C][C][C][Ring1][Ring1]
|
[C@H]15CN4C[C@@H]1C1CC1.c18noc(C)c17.c16cc(Cl)cn1C.C37=O.C46=O.CC8.N35
|
C=C(C)CCC(=O)N1C[C@H]2[C@H](NC(=O)c3cccc(C#N)c3C)CS(=O)(=O)[C@H]2C1
|
C=CC)CCC=O)NC[C@H][C@H]NC=O)cccccC#N))c6C)))))))))CS=O)=O)[C@H]5C8
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1]
|
N14C[C@H]2[C@H]6CS(=O)(=O)[C@H]2C1.c17cccc(C#N)c1C.C=C(C)CCC4=O.C57=O.N56
|
CC(C)C12COC(C(=O)NC[C@@H]3CC[C@H](C)N(C(=O)c4ccnc(O)c4)C3)(C1)C2
|
CCC)CCOCC=O)NC[C@@H]CC[C@H]C)NC=O)cccncO)c6)))))))C6)))))))))C5)C5
|
[C][C][Branch1][C][C][C][C][O][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][S][Branch1][Branch1][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][#Branch2]
|
[C@@H]1%11CC[C@H](C)N6C1.C12%10COC8(C1)C2.c19ccnc(O)c1.CC%10C.C58=O.C69=O.N57.C7%11
|
C[C@H](NC(=O)[C@@H]1CC2(CC2)CN1C(=O)c1cnc(=N)[nH]c1)c1ccnc(F)c1
|
C[C@H]NC=O)[C@@H]CCCC3))CN5C=O)ccnc=N)[nH]c6))))))))))))))cccncF)c6
|
[C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=N][C][=Branch1][C][=N][NH1][C][=Ring1][#Branch1][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1]
|
[C@@H]16CC2(CC2)CN14.c17cnc(=N)[nH]c1.c18ccnc(F)c1.C[C@H]58.C36=O.C47=O.N35
|
Cc1ccnc(NC(=O)[C@H]2CCN(Cc3c(Cl)cc(O)cc3Cl)C2)c1F
|
CcccncNC=O)[C@H]CCNCccCl)ccO)cc6Cl))))))))C5)))))))c6F
|
[C][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][P][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Cl][C][Ring1][#C][=C][Ring2][Ring1][Branch2][F]
|
c18c(Cl)cc(O)cc1Cl.Cc1ccnc6c1F.[C@H]17CCN5C1.C47=O.N46.C58
|
COc1ccc2c(C(=O)N3CCC[C@@](O)(CNC(=O)[C@H](C)CO)CC3)cnn2c1
|
COcccccC=O)NCCC[C@@]O)CNC=O)[C@H]C)CO))))))CC7))))))))cnn5c9
|
[C][O][C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][O][Branch1][=N][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][O][C][C][Ring1][S][C][=N][N][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][O]
|
c16ccc2c8cnn2c1.N14CCC[C@]9(O)CC1.C5(=O)[C@H](C)CO.C48=O.CO6.C79.N57
|
CCOc1ccccc1NC(=S)NC[C@H](CC(C)C)OC
|
CCOcccccc6NC=S)NC[C@H]CCC)C)))OC
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][O][C]
|
c14ccccc16.C5[C@@H]3CC(C)C.N6C(=S)N5.CC2.O24.O3C
|
Cc1cc(Cl)cc(C)c1C(=O)N[C@H](C)CNC(=O)[C@@]1(Cl)CC12CCOCC2
|
CcccCl)ccC)c6C=O)N[C@H]C)CNC=O)[C@@]Cl)CC3CCOCC6
|
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][Cl][C][C][Ring1][Ring2][C][C][O][C][C][Ring1][=Branch1]
|
Cc1cc(Cl)cc(C)c18.[C@]17(Cl)CC12CCOCC2.[C@@H]5(C)C6.C38=O.C47=O.N35.N46
|
CSc1ccc(/C=C/C(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)c4cnn[nH]4)C3)C2)s1
|
CScccc/C=C/C=O)NCCC[C@@H][C@@H]CCNC=O)ccnn[nH]5))))))C5)))))C6)))))))))s5
|
[C][S][C][=C][C][=C][Branch2][Ring2][#Branch1][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Branch1][C@@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=N][NH1][Ring1][Branch1][C][Ring1][N][C][Ring2][Ring1][C][S][Ring2][Ring1][O]
|
N15CCC[C@@H]([C@@H]2CCN6C2)C1.c19ccc(C=8)s1.c17cnn[nH]1.C=8C5=O.C67=O.CS9
|
CC(C)CCc1ccc(-n2cc([C@H]3CC[C@H](C(=O)O)CC3)nn2)cc1
|
CCC)CCcccc-ncc[C@H]CC[C@H]C=O)O))CC6))))))nn5)))))cc6
|
[C][C][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][S][C@H1][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][N][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
c15ccc6cc1.[C@H]17CC[C@H]4CC1.n16cc7nn1.CC(C)CC5.C4(=O)O
|
CNc1cnc(C(=O)NC2CN(C(=O)c3cnc4ncnn4c3O)C2)cn1
|
CNccncC=O)NCCNC=O)ccncncnn5c9O)))))))))))C4))))))cn6
|
[C][N][C][=C][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][O][C][Ring1][S][C][=N][Ring2][Ring1][=Branch2]
|
c1%10cnc2ncnn2c1O.c17cnc9cn1.C18CN6C1.C59=O.C6%10=O.CN7.N58
|
Cc1[nH]ccc1C(=O)N[C@@H](C(=O)NC[C@H]1COC[C@H]1O)C1(O)CCCCC1
|
Cc[nH]ccc5C=O)N[C@@H]C=O)NC[C@H]COC[C@H]5O)))))))))CO)CCCCC6
|
[C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C@H1][Ring1][Branch1][O][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1]
|
C17(O)CCCCC1.Cc1[nH]ccc16.[C@H]18COC[C@H]1O.[C@@H]47C3=O.C26=O.N24.N35.C58
|
O=C(NCCNC(=O)[C@@](O)(c1cn[nH]c1)C(F)(F)F)c1ccns1
|
O=CNCCNC=O)[C@@]O)ccn[nH]c5)))))CF)F)F))))))))cccns5
|
[O][=C][Branch2][Ring1][=C][N][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][O][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=N][S][Ring1][Branch1]
|
C3(=O)[C@]7(O)C(F)(F)F.c17cn[nH]c1.c16ccns1.O=C26.C4C5.N24.N35
|
CCO[C@H]1CC[C@@H]1C(=O)NCCN(CC)C(=O)c1cc(CC)n(C)n1
|
CCO[C@H]CC[C@@H]4C=O)NCCNCC))C=O)cccCC))nC)n5
|
[C][C][O][C@H1][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][N][Branch1][C][C][N][=Ring1][Branch2]
|
c1%10cc3n(C)n1.[C@H]16CC[C@@H]1%11.C2%11=O.C7C8.N489.C4%10=O.CC5.O56.N27.C9C.C3C
|
CC[C@H](C(=O)N1C[C@@H]2C[C@H](Nc3ncc(Br)cc3C#N)[C@@H]2C1)n1ccnc1
|
CC[C@H]C=O)NC[C@@H]C[C@H]NcnccBr)cc6C#N)))))))))[C@@H]4C7))))))))nccnc5
|
[C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][#C][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][#N][C@@H1][Ring1][=C][C][Ring1][P][N][C][=C][N][=C][Ring1][Branch1]
|
c15ncc(Br)cc1C#N.N14C[C@@H]2C[C@H]6[C@@H]2C1.CC[C@@H]7C4=O.n17ccnc1.N56
|
CCCC[C@H](CC)CC(=O)NC[C@H](C)NC(=O)/C=C/c1cccc(OC(C)C)c1
|
CCCC[C@H]CC))CC=O)NC[C@H]C)NC=O)/C=C/cccccOCC)C)))c6
|
[C][C][C][C][C@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2]
|
CCCC[C@H](CC)CC2=O.C=8c1cccc5c1.C6[C@@H]7C.C3(=O)C=8.C4(C)C.N26.N37.O45
|
CCCn1cccc1C(=O)N[C@@H]1CN(C(=O)CCC=CBr)C[C@H]1SC
|
CCCncccc5C=O)N[C@@H]CNC=O)CCC=CBr))))))C[C@H]5SC
|
[C][C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][=C][Br][C][C@H1][Ring1][N][S][C]
|
[C@@H]14CN3C[C@H]17.C3(=O)CCC=CBr.n16cccc15.CCC6.C25=O.N24.S7C
|
Cc1cc(F)ncc1NC(=O)[C@H]1CC[C@H]2CC[C@H]1N2C(=O)CNc1cccnc1
|
CcccF)ncc6NC=O)[C@H]CC[C@H]CC[C@H]7N5C=O)CNccccnc6
|
[C][C][=C][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][C][C][C@H1][Ring1][#Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
[C@H]18CC[C@H]2CC[C@H]1N24.Cc1cc(F)ncc16.c17cccnc1.C4(=O)C5.C38=O.N36.N57
|
Cc1c(C=CC(=O)N[C@@H]2CCCN(C(=O)CCC3CCC3)C2)cnn1C
|
CccC=CC=O)N[C@@H]CCCNC=O)CCCCCC4)))))))C6))))))))))cnn5C
|
[C][C][=C][Branch2][Ring1][=C][C][=C][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring2][C][Ring1][=C][C][=N][N][Ring2][Ring1][Branch2][C]
|
Cc1c(C=7)cnn1C.[C@@H]16CCCN5C1.C5(=O)CC8.C=7C4=O.C18CCC1.N46
|
CCC(CC)(CN=c1cc(C(=O)OC)nc(Cl)[nH]1)NC(=O)c1cccc(SC)n1
|
CCCCC))CN=cccC=O)OC)))ncCl)[nH]6))))))))NC=O)cccccSC))n6
|
[C][C][C][Branch1][Ring1][C][C][Branch2][Ring1][=Branch1][C][N][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=C][Branch1][C][Cl][NH1][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][S][C][=N][Ring1][Branch2]
|
CCC4(CC)CN=c1cc5nc(Cl)[nH]1.c16cccc7n1.C25=O.C36=O.O2C.N34.S7C
|
CCNC(=O)[C@@H](c1ccnn1CCF)N1CC[C@H]2CC[C@@H](O)[C@H]1C2
|
CCNC=O)[C@@H]cccnn5CCF))))))))NCC[C@H]CC[C@@H]O)[C@H]8C6
|
[C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][O][C][=C][C][=N][N][Ring1][Branch1][C][C][F][N][C][C][C@H1][C][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][Ring1][#Branch1]
|
N15CC[C@H]2CC[C@@H](O)[C@H]1C2.c17ccnn16.C3(=O)[C@H]57.C6CF.CC4.N34
|
C=C(I)CC(=O)N[C@H]1C[C@@H]1NC(=O)c1c(C)cc(C)nc1S
|
C=CI)CC=O)N[C@H]C[C@@H]3NC=O)ccC)ccC)nc6S
|
[C][=C][Branch1][C][I][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][S]
|
c16c(C)cc(C)nc1S.C=C(I)CC2=O.[C@H]14C[C@@H]15.C36=O.N24.N35
|
COCCCN(CCOC)C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1
|
COCCCNCCOC))))C=O)cccc-cccc-cccccc6))))))cc6))))))s5
|
[C][O][C][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring1][P]
|
c1%10ccc%11cc1.c19ccc%10s1.c1%11ccccc1.C5CC7.N478.C8C6.C49=O.CO5.O6C
|
Cc1cc(N2CCC[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2=O)n(C)n1
|
CcccNCCC[C@@H]NC=O)CC)C)CC)C)C)))))C6=O)))))))nC)n5
|
[C][C][C][=C][Branch2][Ring1][P][N][C][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S][=O][N][Branch1][C][C][N][=Ring2][Ring1][#Branch1]
|
C3(=O)C(C)(C)C(C)(C)C.N15CCC[C@@H]4C1=O.Cc1cc5n(C)n1.N34
|
C[C@H](OCC1CC1)C(=O)N1C[C@H](CNC(=O)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)[C@@H]2CCCC[C@@H]21
|
C[C@H]OCCCC3)))))C=O)NC[C@H]CNC=O)[C@@H]CC[C@@H]C5[C@@H]3C6))))))))))[C@@H]CCCC[C@@H]69
|
[C][C@H1][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][C][Ring1][Branch1][C@@H1][Ring1][Ring1][C][Ring1][=Branch1][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
N15C[C@H]%12[C@@H]2CCCC[C@@H]21.[C@@H]1%10C2C[C@@H]3C1[C@@H]3C2.C[C@H]7C5=O.C1%11CC1.C6%10=O.O78.C8%11.C9%12.N69
|
Cc1c(F)cccc1C(=O)N1CCN(C(=O)c2ccc3nccn3c2)[C@H]2CC[C@H]21
|
CccF)cccc6C=O)NCCNC=O)ccccnccn5c9))))))))))[C@H]CC[C@H]48
|
[C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][C@H1][C][C][C@H1][Ring1][Ring2][Ring2][Ring1][Ring1]
|
N14CCN5[C@H]2CC[C@H]21.c17ccc2nccn2c1.Cc1c6cccc1F.C46=O.C57=O
|
O=C(NCCOC1CN(C(=O)c2nsc3c(Cl)cccc23)C1)c1ccc(CO)o1
|
O=CNCCOCCNC=O)cnsccCl)cccc96))))))))))C4))))))))ccccCO))o5
|
[O][=C][Branch2][Ring2][C][N][C][C][O][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=N][S][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring1][S][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1]
|
c1%10nsc2c(Cl)cccc12.c19ccc%11o1.C17CN5C1.O=C49.C8C6.C5%10=O.N48.O67.C%11O
|
CCc1cc(C(=O)NCCC2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)on1
|
CCcccC=O)NCCCCCNC=O)C[C@H]C)ncccC)n5))))))))CC6))))))))))on5
|
[C][C][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][P][O][N][=Ring2][Ring1][O]
|
C1%10CCN5CC1.c19cc7on1.C5(=O)C[C@@H]8C.n18ccc(C)n1.C47=O.C6C%10.CC9.N46
|
CC1([C@@](C)(O)CNC(=O)[C@@H](Cc2ccco2)NC(=O)CCC2CCC2)CC1
|
CC[C@@]C)O)CNC=O)[C@@H]Ccccco5))))))NC=O)CCCCCC4)))))))))))))CC3
|
[C][C][Branch2][Ring2][=Branch1][C@@][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2]
|
C3(=O)[C@H]6C7.[C@@]8(C)(O)C5.c17ccco1.C4(=O)CC9.CC18CC1.C19CCC1.N35.N46
|
CC(C)(C)C1=NO[C@](C)(C(=O)NCC[C@H]2CCN(C(=O)CP(C)(C)=O)C2)C1
|
CCC)C)C=NO[C@]C)C=O)NCC[C@H]CCNC=O)CPC)C)=O))))C5)))))))))C5
|
[C][C][Branch1][C][C][Branch1][C][C][C][=N][O][C@][Branch1][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][P][Branch1][C][C][Branch1][C][C][=O][C][Ring1][N][C][Ring2][Ring1][#Branch1]
|
CC(C)(C)C1=NO[C@@]6(C)C1.C4(=O)CP(C)(C)=O.[C@H]17CCN4C1.C36=O.C5C7.N35
|
CN(C)C[C@@H]1CC[C@H](C(=O)N(C)C2CN(C(=O)c3cncc4cccnc34)C2)O1
|
CNC)C[C@@H]CC[C@H]C=O)NC)CCNC=O)ccncccccnc%106)))))))))))C4))))))O5
|
[C][N][Branch1][C][C][C][C@@H1][C][C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][S][O][Ring2][Ring1][=Branch2]
|
c1%10cncc2cccnc12.[C@@H]1%11CC[C@H]9O1.C18CN6C1.CN7C.C59=O.N58C.C6%10=O.C7%11
|
CCc1ccc(C(=O)NCC23CC(NC(=O)[C@@H]4C[C@@H]5[C@H](C4)C5(C)C)(CO2)C3)o1
|
CCccccC=O)NCCCCNC=O)[C@@H]C[C@@H][C@H]C5)C3C)C))))))))CO5))C4)))))))o5
|
[C][C][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C][Branch1][Branch1][C][O][Ring1][S][C][Ring1][P][O][Ring2][Ring1][#Branch2]
|
[C@@H]1%11C[C@@H]2[C@H](C1)C2(C)C.C12%12CC9(CO1)C2.c1%13ccc%10o1.C6%10=O.C7%11=O.CC%13.N68.C8%12.N79
|
CN(CCOc1ccc(O)cc1)C(=O)NC[C@@]12CC[C@@H](CO1)C2
|
CNCCOccccO)cc6)))))))))C=O)NC[C@@]CC[C@@H]CO6))C5
|
[C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@][C][C][C@@H1][Branch1][Branch1][C][O][Ring1][=Branch1][C][Ring1][#Branch1]
|
c16ccc(O)cc1.[C@@]129CC[C@@H](CO1)C2.CN37.C7C5.C34=O.O56.N48.C89
|
COCC(=O)NCCC(=O)N[C@@]1(c2ccc(OC(F)F)cc2)CCCOC1
|
COCC=O)NCCC=O)N[C@@]ccccOCF)F)))cc6))))))CCCOC6
|
[C][O][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@@][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][O][C][Ring1][S]
|
[C@]189CCCOC1.c19ccc6cc1.C7CC4=O.C5C3=O.O6C(F)F.CO5.N37.N48
|
CCc1ccc(C(C)(C)C(=O)N2CC[C@@H](CNC(=O)CCCCO)[C@@H](C)C2)cc1
|
CCccccCC)C)C=O)NCC[C@@H]CNC=O)CCCCO))))))))[C@@H]C)C6))))))))cc6
|
[C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][C][O][C@@H1][Branch1][C][C][C][Ring1][S][C][=C][Ring2][Ring1][O]
|
N13CC[C@@H]6[C@@H](C)C1.c17ccc8cc1.C4(=O)CCCCO.C8(C)(C)C3=O.CC7.C56.N45
|
C=C(C)CCC(=O)N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)[C@@H]1CC=CCC1
|
C=CC)CCC=O)N[C@@H]CC[C@H]C[C@H]6CN5C=O)[C@@H]CC=CCC6
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][C][C@H1][Ring1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C][Ring1][=Branch1]
|
[C@@H]15CC[C@H]2C[C@H]1CN24.C=C(C)CCC3=O.[C@@H]16CC=CCC1.C46=O.N35
|
Cc1cc(C(=O)NCCCN2CCN(C(=O)C3CC4(COCCO4)C3)CC2)on1
|
CcccC=O)NCCCNCCNC=O)CCCCOCCO6)))))C4)))))CC6)))))))))))on5
|
[C][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][Branch1][Branch2][C][O][C][C][O][Ring1][=Branch1][C][Ring1][=Branch2][C][C][Ring1][P][O][N][=Ring2][Ring1][N]
|
C1%10CC2(COCCO2)C1.N18CCN6CC1.Cc1cc9on1.C7CC8.C59=O.C6%10=O.N57
|
Cc1ccnn1CC(=O)N1CCCC[C@H](CNC(=O)CC2CSC2)C1
|
Ccccnn5CC=O)NCCCC[C@H]CNC=O)CCCSC4))))))))C7
|
[C][C][=C][C][=N][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][S][C][Ring1][Ring2][C][Ring1][S]
|
N13CCCC[C@H]7C1.Cc1ccnn16.C6C3=O.C4(=O)C8.C18CSC1.C57.N45
|
O=C(NCc1ccc2c(c1)CCOC2)Nc1ccc(N=Nc2ccccc2)cc1
|
O=CNCcccccc6)CCOC6)))))))))))NccccN=Ncccccc6))))))))cc6
|
[O][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
|
c16ccc(N=Nc2ccccc2)cc1.c17ccc2c(c1)CCOC2.O=C34.N35.C57.N46
|
CN(C(=O)[C@H]1COC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([N+](=O)[O-])c1
|
CNC=O)[C@H]COCC)C)C5))))))CC[C@H]CC[C@@H]C7)N5C=O)ccsc[N+]=O)[O-]))c5
|
[C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][Branch2]
|
C15C[C@H]2CC[C@@H](C1)N24.c17csc([N+](=O)[O-])c1.[C@H]16COC(C)(C)C1.CN35.C36=O.C47=O
|
CC(C)CC[C@H](F)C(=O)NC1(CC(=O)N2CCc3ncccc3C2)CCC1
|
CCC)CC[C@H]F)C=O)NCCC=O)NCCcncccc6C%10))))))))))))CCC4
|
[C][C][Branch1][C][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][C][Ring1][P]
|
N15CCc2ncccc2C1.CC(C)CC[C@H](F)C4=O.C167CCC1.C7C5=O.N46
|
CCCSCCC(=O)N[C@@H]1CN(C(=O)CC(=O)Nc2nccs2)C2(CCC2)C1
|
CCCSCCC=O)N[C@@H]CNC=O)CC=O)Ncnccs5)))))))))CCCC4)))C5
|
[C][C][C][S][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Ring1]
|
[C@@H]19CN4C2(CCC2)C1.C4(=O)CC5=O.C7CC3=O.c18nccs1.CCC6.S67.N39.N58
|
C#CCOCCC(=O)N[C@@H]1CCN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)C1
|
C#CCOCCC=O)N[C@@H]CCNC=O)CC)C)cccccc6)OCCO6)))))))))))C5
|
[C][#C][C][O][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][Ring2]
|
c19ccc2c(c1)OCCO2.[C@@H]18CCN5C1.C5(=O)C9(C)C.C7CC4=O.C#CC6.O67.N48
|
CCC(CC)[C@H](C)C(=O)N1CCOC[C@@H](NC(=O)C2=CCC(C)(C)CC2)C1
|
CCCCC))[C@H]C)C=O)NCCOC[C@@H]NC=O)C=CCCC)C)CC6))))))))C7
|
[C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
C4(=O)C1=CCC(C)(C)CC1.CCC(CC)[C@H](C)C3=O.N13CCOC[C@@H]5C1.N45
|
CC1(C)C2CCC1(NC(=O)C1CCC(NC(=O)CCc3nncs3)CC1)CC2
|
CCC)CCCC5NC=O)CCCCNC=O)CCcnncs5)))))))))CC6))))))))CC6
|
[C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch2]
|
CC1(C)C2CCC16CC2.C18CCC7CC1.C5(=O)CC9.c19nncs1.C48=O.N46.N57
|
C[C@H]1CCCc2ncc(C(=O)N(CCNC(=O)C3CC(F)(F)C3)C3CC3)n21
|
C[C@H]CCCcnccC=O)NCCNC=O)CCCF)F)C4))))))))CCC3)))))n59
|
[C][C@H1][C][C][C][C][=N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][N][Ring2][Ring1][=Branch1][Ring2][Ring1][#Branch2]
|
C[C@H]1CCCc2ncc9n21.C1%10CC(F)(F)C1.C49=O.N468.C6C7.C5%10=O.C18CC1.N57
|
Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@H]1CCC[C@@]2(CCOC2)O1
|
CcccCl)ccc6NC=O)COC=O)[C@H]CCC[C@@]CCOC5))))O6
|
[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@H1][C][C][C][C@@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][O][Ring1][#Branch2]
|
[C@H]17CCC[C@@]2(CCOC2)O1.Cc1cc(Cl)ccc16.C4(=O)C5.C37=O.N46.O35
|
CC(C)S(=O)(=O)CC(=O)NCCC1(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1
|
CCC)S=O)=O)CC=O)NCCCNcccc[N+]=O)[O-]))cCN)=O))c6)))))))CCC4
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][N][C][C][C][Ring1][P]
|
c16ccc([N+](=O)[O-])c7c1.CC(C)S(=O)(=O)CC3=O.C158CCC1.C4C8.C7(N)=O.N34.N56
|
CN(C)c1ccc(C(=O)NC23CCC(CC2)N(C(=O)C(C)(C)F)C3)c(F)c1
|
CNC)ccccC=O)NCCCCCC6))NC=O)CC)C)F)))C6))))))))cF)c6
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][F][C][Ring1][=C][C][Branch1][C][F][=C][Ring2][Ring1][Branch2]
|
C127CCC(CC1)N5C2.c16ccc8c(F)c1.C5(=O)C(C)(C)F.CN6C.C48=O.N47
|
CCOCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)COCC1CCCC1
|
CCOCCCNC=O)[C@H]CCC[C@H]5NC=O)COCCCCCC5
|
[C][C][O][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][C][C][C][C][C][Ring1][Branch1]
|
[C@H]1%11CCC[C@H]1%10.C13CCCC1.C6CC9.C4(=O)C7.C2%11=O.CC5.O56.N29.N4%10.O78.C83
|
CC[C@H](CCC(=O)N1CCN([C@@H](CNC(=O)C(C)C)C(F)F)CC1)OC
|
CC[C@H]CCC=O)NCCN[C@@H]CNC=O)CC)C)))))CF)F)))CC6)))))))))OC
|
[C][C][C@H1][Branch2][Ring2][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C@@H1][Branch1][N][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][F][F][C][C][Ring1][P][O][C]
|
CC[C@@H]4CCC2=O.N12CCN5CC1.[C@H]5(C6)C(F)F.C3(=O)C(C)C.N36.O4C
|
Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCC(=O)N1
|
CccccC#N))cc6NC=O)[C@H]CCCCN6C=O)[C@H]CCCC=O)N6
|
[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1]
|
Cc1ccc(C#N)cc14.[C@H]15CCCCN13.[C@H]16CCCC(=O)N1.C25=O.C36=O.N24
|
O=C(C(=O)N1CCCCCC[C@@H]1C(=O)N1CC[C@@](O)(C(F)F)C1)C1CCCCC1
|
O=CC=O)NCCCCCC[C@@H]8C=O)NCC[C@@]O)CF)F))C5)))))))))))))))CCCCCC6
|
[O][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1]
|
N12CCCCCC[C@@H]14.N13CC[C@]6(O)C1.C15CCCCC1.O=C5C2=O.C34=O.C6(F)F
|
Cc1cc(C(=O)N2C[C@@H]3C[C@@H](C[C@H](NC(=O)COc4ccsn4)C3)C2)sc1C
|
CcccC=O)NC[C@@H]C[C@@H]C[C@H]NC=O)COcccsn5)))))))))C6)))C6)))))))sc5C
|
[C][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch2][Ring1][=Branch1][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][O][C][C][=C][S][N][=Ring1][Branch1][C][Ring1][S][C][Ring2][Ring1][Ring1][S][C][=Ring2][Ring1][#Branch2][C]
|
N15C[C@@H]2C[C@H]9C[C@@H](C2)C1.Cc1cc%10sc1C.c18ccsn1.C6(=O)C7.C5%10=O.N69.O78
|
C#CCCC[C@](C)(N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1
|
C#CCCC[C@]C)N)C=O)NCccccOC))c[N+]=O)[O-]))c6
|
[C][#C][C][C][C][C@][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]
|
C#CCCC[C@](C)(N)C2=O.c15ccc3c([N+](=O)[O-])c1.N24.C45.O3C
|
O=C(Cc1ccc(Cl)nc1)NC[C@H]1CCN(C(=O)[C@H](F)n2cccn2)C1
|
O=CCccccCl)nc6)))))))NC[C@H]CCNC=O)[C@H]F)ncccn5)))))))C5
|
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][C][F][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][=C]
|
c18ccc(Cl)nc1.[C@H]17CCN4C1.C4(=O)[C@@H]6F.n16cccn1.O=C3C8.N35.C57
|
O=C(C[C@@H](C(F)F)n1cccn1)N1CCCN(C(=O)c2ns[nH]c2=O)[C@@H](CO)C1
|
O=CC[C@@H]CF)F))ncccn5)))))))NCCCNC=O)cns[nH]c5=O)))))))[C@@H]CO))C7
|
[O][=C][Branch1][P][C][C@@H1][Branch1][=Branch1][C][Branch1][C][F][F][N][C][=C][C][=N][Ring1][Branch1][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=N][S][NH1][C][Ring1][Branch1][=O][C@@H1][Branch1][Ring1][C][O][C][Ring1][P]
|
N13CCCN4[C@@H]7C1.O=C3C[C@H]6C(F)F.c15ns[nH]c1=O.n16cccn1.C45=O.C7O
|
C=C=C(C)CC(=O)N1C[C@@H]2CN(C(=O)c3nc(CC)ncc3Cl)CC[C@]2(CO)C1
|
C=C=CC)CC=O)NC[C@@H]CNC=O)cncCC))ncc6Cl))))))))CC[C@]6CO))C9
|
[C][=C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][C][C][=N][C][=C][Ring1][Branch2][Cl][C][C][C@][Ring1][P][Branch1][Ring1][C][O][C][Ring2][Ring1][=Branch1]
|
N14C[C@@H]2CN5CC[C@]28C1.c16nc7ncc1Cl.C=C=C(C)CC4=O.C56=O.C7C.C8O
|
CN(C)C[C@H](O)CN(C)C(=O)[C@H](CNC(=O)c1c[nH]c(=S)cn1)CC1CC1
|
CNC)C[C@H]O)CNC)C=O)[C@H]CNC=O)cc[nH]c=S)cn6)))))))))CCCC3
|
[C][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=S][C][=N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1]
|
C2(=O)[C@H](C6)C8.c17c[nH]c(=S)cn1.C4[C@H](O)C5.CN4C.N25C.C37=O.C18CC1.N36
|
CS[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2cnn(C(C)(C)C)c2)C1
|
CS[C@@H]C)C=O)NCC[C@H]CCNC=O)CccnnCC)C)C))c5))))))))))C5
|
[C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][Ring2][Ring1][Ring2]
|
N13CC[C@H]8C1.c19cnn7c1.[C@H]6(C)C3=O.C4(=O)C9.C7(C)(C)C.C8C5.CS6.N45
|
CCC=CC(=O)N1CCC[C@@H](CC(=O)NC(C)(C)C(F)F)CC1
|
CCC=CC=O)NCCC[C@@H]CC=O)NCC)C)CF)F))))))CC7
|
[C][C][C][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][F][C][C][Ring1][P]
|
N12CCC[C@@H]6CC1.C4(C)(C)C(F)F.C=5C2=O.C6C3=O.CCC=5.N34
|
CCCCO[C@H](C)C(=O)NCc1cc(C(=O)N[C@H]2CCOC3(CCC3)C2)n(C)n1
|
CCCCO[C@H]C)C=O)NCcccC=O)N[C@H]CCOCCCC4)))C6))))))))nC)n5
|
[C][C][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][N][Branch1][C][C][N][=Ring2][Ring1][C]
|
[C@H]19CCOC2(CCC2)C1.c1%11cc%10n(C)n1.[C@@H]7(C)C4=O.CCCC6.C5%10=O.O67.N48.C8%11.N59
|
CO[C@]1(C(=O)NC[C@H](O)C(=O)N[C@H]2COCCN(C)C2)CCCOC1
|
CO[C@]C=O)NC[C@H]O)C=O)N[C@H]COCCNC)C7)))))))))))))CCCOC6
|
[C][O][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][C][O][C][C][N][Branch1][C][C][C][Ring1][Branch2][C][C][C][O][C][Ring2][Ring1][#Branch1]
|
[C@H]17COCCN(C)C1.[C@@]158CCCOC1.C6[C@H](O)C4=O.C38=O.CO5.N36.N47
|
C#Cc1cnc(N2[C@H]3CCC[C@H]2CN(C(=O)c2cc4sccc4n2C)CC3)nc1
|
C#CccncN[C@H]CCC[C@H]6CNC=O)cccsccc5n8C))))))))))CC9))))))))))nc6
|
[C][#C][C][=C][N][=C][Branch2][Ring2][Ring2][N][C@H1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][O]
|
N16[C@H]2CCC[C@H]1CN5CC2.c17cc2sccc2n1C.C#Cc1cnc6nc1.C57=O
|
O=C(NCCC1(C(=O)N[C@H](C2CCC2)C2CC2)CCCC1)[C@@H]1CCCC2(CC2)C1
|
O=CNCCCC=O)N[C@H]CCCC4))))CCC3))))))CCCC5))))))))[C@@H]CCCCCC3))C6
|
[O][=C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][S][C@@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch2]
|
[C@@H]17CCCC2(CC2)C1.C189CCCC1.C1%10CCC1.O=C37.C5C9.C48=O.[C@@H]6%10%11.C1%11CC1.N35.N46
|
CCCC[C@H](F)C(=O)N1C[C@H](NC(=O)CCCCC(C)C)C(C)(C)C1
|
CCCC[C@H]F)C=O)NC[C@H]NC=O)CCCCCC)C))))))))CC)C)C5
|
[C][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][P]
|
C3(=O)CCCCC(C)C.CCCC[C@H](F)C2=O.N12C[C@H]4C(C)(C)C1.N34
|
CCS[C@@H](C)C(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](C)Sc1ccccn1)C2
|
CCS[C@@H]C)C=O)NC[C@H]C[C@@H]C6)NC=O)[C@@H]C)Scccccn6)))))))))C5
|
[C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][P]
|
N13C[C@H]2C[C@@H](C1)N4C2.c18ccccn1.[C@H]6(C)C3=O.C4(=O)[C@H]7C.CC5.S56.S78
|
CCOC(=O)CCC(=O)N[C@H]1CN(C(=O)c2cnc(S)n2C)C[C@H]1OC
|
CCOC=O)CCC=O)N[C@H]CNC=O)ccncS)n5C)))))))C[C@H]5OC
|
[C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][C][C@H1][Ring1][=C][O][C]
|
C3(=O)CCC4=O.[C@H]18CN5C[C@H]17.c19cnc(S)n1C.C59=O.CC6.O36.N48.O7C
|
CCC(CC)(CC)C(=O)N[C@H]1CC[C@H]1CNC(=O)CCCCc1cnn[nH]1
|
CCCCC))CC))C=O)N[C@H]CC[C@H]4CNC=O)CCCCccnn[nH]5
|
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][C][=C][N][=N][NH1][Ring1][Branch1]
|
CCC(CC)(CC)C2=O.C3(=O)CCCC6.[C@H]15CC[C@H]17.c16cnn[nH]1.N25.C47.N34
|
COC1CCC(C(=O)N2CC[C@@H](NC(=O)C=CC3CC3)C(C)(C)C2)CC1
|
COCCCCC=O)NCC[C@@H]NC=O)C=CCCC3)))))))CC)C)C6)))))))CC6
|
[C][O][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][C][C][Ring2][Ring1][Branch2]
|
N14CC[C@@H]7C(C)(C)C1.C16CCC8CC1.C5(=O)C=9.C=9C1CC1.C48=O.CO6.N57
|
C[C@@H]1CN(C(=O)c2cc(N)cnc2Cl)CCN1C(=O)[C@@H]1CCN(C2CC2)C1=O
|
C[C@@H]CNC=O)cccN)cnc6Cl))))))))CCN6C=O)[C@@H]CCNCCC3)))C5=O
|
[C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][Cl][C][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][Branch2][=O]
|
C[C@@H]1CN3CCN14.c16cc(N)cnc1Cl.[C@@H]15CCN7C1=O.C36=O.C45=O.C17CC1
|
Cc1cc(C)cc(C(=O)N[C@]2(C)CCC[C@H]2NC(=O)CCCc2nc(C)no2)c1
|
CcccC)ccC=O)N[C@]C)CCC[C@H]5NC=O)CCCcncC)no5)))))))))))))))))c6
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
Cc1cc7cc(C)c1.[C@@]15(C)CCC[C@H]16.C4(=O)CCC8.c18nc(C)no1.C37=O.N35.N46
|
O=C(N[C@H]1C[C@@H](CO)N(C(=O)c2cccc(-c3ccco3)c2)C1)[C@@H]1CCC1(F)F
|
O=CN[C@H]C[C@@H]CO))NC=O)ccccc-cccco5)))))c6)))))))C5))))))[C@@H]CCC4F)F
|
[O][=C][Branch2][Ring2][=Branch1][N][C@H1][C][C@@H1][Branch1][Ring1][C][O][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][O][C][Ring2][Ring1][Ring2][C@@H1][C][C][C][Ring1][Ring2][Branch1][C][F][F]
|
[C@H]16C[C@@H]9N5C1.c18cccc%10c1.[C@@H]17CCC1(F)F.c1%10ccco1.O=C47.C58=O.N46.C9O
|
C#CC1(C(=O)N(C)C[C@H]2CC[C@H](CNC(=O)C=C3CCN(C)CC3)CC2)CCC1
|
C#CCC=O)NC)C[C@H]CC[C@H]CNC=O)C=CCCNC)CC6))))))))))CC6)))))))))CCC4
|
[C][#C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][O]
|
[C@H]1%10CC[C@H]%11CC1.C1=9CCN(C)CC1.C#CC18CCC1.C5(=O)C=9.C48=O.N46C.C6%10.C7%11.N57
|
COC(=O)C1(NC(=O)C2(NC(=O)c3ccc(C)s3)CCCCC2)CC1
|
COC=O)CNC=O)CNC=O)ccccC)s5)))))))CCCCC6))))))))CC3
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1]
|
C18%11CCCCC1.c19ccc(C)s1.C17%10CC1.C4%10=O.C5%11=O.C69=O.CO4.N57.N68
|
CCC[C@H](CCCNC(=O)c1cccnc1)NC(=O)c1cccc2c1CCC2=O
|
CCC[C@H]CCCNC=O)ccccnc6)))))))))))NC=O)cccccc6CCC5=O
|
[C][C][C][C@H1][Branch1][P][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][=O]
|
c18cccc2c1CCC2=O.CCC[C@@H]5CCC6.c17cccnc1.C37=O.C48=O.N36.N45
|
CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc[nH]c(=NCCc2ncn(C)n2)n1
|
CNC[C@@H]CCN4C=O)OCC)C)C)))))))))ccc[nH]c=NCCcncnC)n5))))))))n6
|
[C][N][Branch2][Ring1][Branch1][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][NH1][C][=Branch1][=C][=N][C][C][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][N][=Ring1][#C]
|
c17cc[nH]c(=NCC9)n1.c19ncn(C)n1.[C@@H]18CCN14.C5(C)(C)C.CN67.C34=O.C68.O35
|
CC(C)COCCC(=O)N1CCC[C@@](C)(NC(=O)c2nc(C3CC3)ncc2Cl)C1
|
CCC)COCCC=O)NCCC[C@@]C)NC=O)cncCCC3)))ncc6Cl)))))))))C6
|
[C][C][Branch1][C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][Cl][C][Ring2][Ring1][Ring2]
|
N14CCC[C@]8(C)C1.c19nc%10ncc1Cl.C7CC4=O.CC(C)C6.C59=O.C1%10CC1.O67.N58
|
COC[C@H](C)[C@H](C)C(=O)NC1(C(=O)NCC(=O)N(C)C)CCCC1
|
COC[C@H]C)[C@H]C)C=O)NCC=O)NCC=O)NC)C))))))CCCC5
|
[C][O][C][C@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Ring1][=C]
|
C5[C@H](C)[C@H](C)C2=O.C168CCCC1.C7C4=O.C38=O.N4(C)C.CO5.N26.N37
|
COC[C@@H](C)C(=O)N[C@@]1(COC)CCN(C(=O)c2cc3ccc(SC)cc3[nH]2)C1
|
COC[C@@H]C)C=O)N[C@@]COC)))CCNC=O)ccccccSC))cc6[nH]9))))))))))C5
|
[C][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@][Branch1][Ring2][C][O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][Ring2][Ring1][Branch1]
|
c19cc2ccc%11cc2[nH]1.[C@]18%10CCN5C1.C6[C@@H](C)C4=O.C59=O.CO6.N48.C7%10.O7C.S%11C
|
CCCCNc1ccccc1C(=O)NC[C@@H](C)N(C)C(=O)C(F)(F)CO
|
CCCCNcccccc6C=O)NC[C@@H]C)NC)C=O)CF)F)CO
|
[C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][O]
|
c17ccccc18.C3(=O)C(F)(F)CO.CCCC4.C5[C@H]6C.C28=O.N36C.N47.N25
|
CNC(=O)OC1CN(C(=O)C2CC3(CC(NC(=O)C4(C)CC(F)(F)C4)C3)C2)C1
|
CNC=O)OCCNC=O)CCCCCNC=O)CC)CCF)F)C4))))))C4)))C4)))))C4
|
[C][N][C][=Branch1][C][=O][O][C][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][=N][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][=C][C][Ring1][P][C][Ring2][Ring1][#Branch1]
|
C1%11CC2(CC%10C2)C1.C1%12(C)CC(F)(F)C1.C19CN7C1.C56=O.C7%11=O.C8%12=O.CN6.O59.N8%10
|
CCc1nnc(N2CCC[C@H](CCNC(=O)C3=NO[C@H](C(C)(C)C)C3)C2)o1
|
CCcnncNCCC[C@H]CCNC=O)C=NO[C@H]CC)C)C))C5)))))))))C6))))))o5
|
[C][C][C][=N][N][=C][Branch2][Ring2][Branch1][N][C][C][C][C@H1][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=N][O][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2]
|
C4(=O)C1=NO[C@H]7C1.N16CCC[C@H]9C1.c18nnc6o1.C7(C)(C)C.C9C5.CC8.N45
|
CO[C@]1(C)C[C@H](NC(=O)c2sccc2CNC(=O)Cc2ccc(C)s2)C1(C)C
|
CO[C@]C)C[C@H]NC=O)csccc5CNC=O)CccccC)s5))))))))))))))))C4C)C
|
[C][O][C@][Branch1][C][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Ring2][Ring1][Branch2][Branch1][C][C][C]
|
[C@@]15(C)C[C@H]7C1(C)C.c18sccc1%10.c19ccc(C)s1.C4(=O)C9.C38=O.CO5.N37.C6%10.N46
|
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